CID 15954385

(+/-)-t-3-(1'acetylamino-2'-ethyl)butyl-t-4-hydroxycyclopentan-r-1-carboxylic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CCC(CC)C([C@H]1C[C@@H](C[C@H]1O)C(=O)O)NC(=O)C
InChI
InChI=1S/C14H25NO4/c1-4-9(5-2)13(15-8(3)16)11-6-10(14(18)19)7-12(11)17/h9-13,17H,4-7H2,1-3H3,(H,15,16)(H,18,19)/t10-,11-,12+,13?/m0/s1
InChIKey
FNVRVYZKLORIMV-ACJTYDJDSA-N
Compound name
(1S,3R,4R)-3-(1-acetamido-2-ethylbutyl)-4-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 167.6
[M+Na]+ 294.16756 170.1
[M-H]- 270.17106 167.6
[M+NH4]+ 289.21216 183.8
[M+K]+ 310.14150 168.9
[M+H-H2O]+ 254.17560 162.0
[M+HCOO]- 316.17654 183.4
[M+CH3COO]- 330.19219 199.0
[M+Na-2H]- 292.15301 162.3
[M]+ 271.17779 165.0
[M]- 271.17889 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.